Detailed information for compound 932962

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.389 | Formula: C21H32BrNO
  • H donors: 1 H acceptors: 1 LogP: 8.45 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC[n+]1cccc2c1ccc(c2)O.[Br-]
  • InChi: 1S/C21H31NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-13-19-18-20(23)14-15-21(19)22;/h12-15,17-18H,2-11,16H2,1H3;1H
  • InChiKey: VXAIZSCGZBXVFG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0256 0.4532 0.4532
Loa Loa (eye worm) hypothetical protein 0.0215 0.2661 0.2661
Loa Loa (eye worm) hypothetical protein 0.016 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0256 0.4532 0.4532
Treponema pallidum sodium- and chloride- dependent transporter 0.0256 0.4532 0.5
Trichomonas vaginalis conserved hypothetical protein 0.016 0.0141 0.5
Loa Loa (eye worm) hypothetical protein 0.016 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0215 0.2661 0.2661
Onchocerca volvulus 0.0375 1 1
Onchocerca volvulus 0.0375 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.0375 1 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0337 0.8242 0.5
Onchocerca volvulus 0.0256 0.4532 0.4454
Echinococcus multilocularis serotonin transporter 0.0256 0.4532 1
Onchocerca volvulus 0.0375 1 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0375 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0256 0.4532 0.4532
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0313 0.7155 0.5
Onchocerca volvulus 0.0215 0.2661 0.2556
Loa Loa (eye worm) serotonin transporter b 0.0256 0.4532 0.4532
Brugia malayi hypothetical protein 0.0215 0.2661 0.2556
Echinococcus granulosus serotonin transporter 0.0256 0.4532 1
Onchocerca volvulus 0.0375 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0215 0.2661 0.2556
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0215 0.2661 0.2661
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0215 0.2661 0.2556
Loa Loa (eye worm) hypothetical protein 0.0215 0.2661 0.2661
Onchocerca volvulus 0.0375 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0375 1 1
Onchocerca volvulus 0.0375 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0256 0.4532 0.4454
Onchocerca volvulus 0.0215 0.2661 0.2556
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0256 0.4532 1
Onchocerca volvulus 0.0375 1 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0215 0.2661 0.2661
Schistosoma mansoni sodium/chloride dependent transporter 0.0256 0.4532 1
Brugia malayi hypothetical protein 0.0215 0.2661 0.2556
Loa Loa (eye worm) hypothetical protein 0.0215 0.2661 0.2661
Loa Loa (eye worm) hypothetical protein 0.016 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0375 1 1
Loa Loa (eye worm) norepinephrine transporter 0.0256 0.4532 0.4532
Loa Loa (eye worm) hypothetical protein 0.016 0.0141 0.0141
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0215 0.2661 0.2556
Loa Loa (eye worm) hypothetical protein 0.0256 0.4532 0.4532
Loa Loa (eye worm) hypothetical protein 0.0215 0.2661 0.2661
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0337 0.8242 0.5
Onchocerca volvulus 0.0375 1 1

Activities

Activity type Activity value Assay description Source Reference
MBC>99.9 (functional) = 1.95 umol/L Bactericidal activity against Escherichia coli CCM 4517 after 48 hrs by microdilution broth method ChEMBL. 25442318
MFC (functional) = 1.95 umol/L Fungicidal activity against Candida albicans ATCC 44859 after 48 hrs by modified standard CSLI M27-A2 method ChEMBL. 25442318

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.